1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one

C24H27NO3 — CID 158871162

IUPAC1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C24H27NO3/c26-23(12-9-18-5-2-1-3-6-18)20-7-4-8-22(17-20)28-21-13-15-25(16-14-21)24(27)19-10-11-19/h1-8,17,19,21H,9-16H2
InChIKeyJBVZZILVTUPHOJ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.28
Rot. Bonds7

About 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one

1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one (PubChem CID 158871162) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
PubChem CID158871162
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C24H27NO3/c26-23(12-9-18-5-2-1-3-6-18)20-7-4-8-22(17-20)28-21-13-15-25(16-14-21)24(27)19-10-11-19/h1-8,17,19,21H,9-16H2
InChIKeyJBVZZILVTUPHOJ-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
4-(1-methylpyrrolidin-2-yl)-1-[3-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]butan-1-one
CID 58356684
[4-[3-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenoxy]piperidin-1-yl]-cyclopropylmethanone
CID 45172491
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide
CID 138751637
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one (CID 158871162) is 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one?
The InChIKey is JBVZZILVTUPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-23(12-9-18-5-2-1-3-6-18)20-7-4-8-22(17-20)28-21-13-15-25(16-14-21)24(27)19-10-11-19/h1-8,17,19,21H,9-16H2.
What are the key properties of 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one?
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one has a molecular weight of 377.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 158871162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).